7-[2-(Benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride

CAS 1236-36-8 MFCD01750349

化学结构图

1236-36-8
SMILES: Cl.Cn1c(=O)c2c(ncn2CCNCc2ccccc2)n(C)c1=O

化学属性

Mol. FormulaC16H19N5O2
Mol. Weight313.40

别名和识别编码

Chemical NameTheophylline, 7-(2-(benzylamino)ethyl)-, hydrochloride
InChIKeyZDYNLEXCQDOPCC-UHFFFAOYSA-N
Wiswesser Line NotationT56 BN DN FNVNVJ B2M1R& F1 H1 &GH
Synonym 7-(2-(Benzylamino)ethyl)theophylline hydrochloride 7-(beta-Benzyl-amino-aethyl)-theophyllin-hydrochlorid BAT
CAS Number1236-36-8
PubChem Substance ID121079
InChIInChI=1S/C16H19N5O2.ClH/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12;/h3-7,11,17H,8-10H2,1-2H3;1H
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安全信息

RTECSXH4800000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 69 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 8,190,1958

系列性分类

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